4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine

C16H22FN3 — CID 79207543

IUPAC4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine
SMILESNC1C=CC(CN2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C16H22FN3/c17-15-3-1-2-4-16(15)20-9-7-19(8-10-20)12-13-5-6-14(18)11-13/h1-6,13-14H,7-12,18H2
InChIKeyLXXNPGODKNZKRH-UHFFFAOYSA-N
MW275.37 g/mol
LogP1.85
Rot. Bonds3

About 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine

4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine (PubChem CID 79207543) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine
PubChem CID79207543
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine
SMILESNC1C=CC(CN2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C16H22FN3/c17-15-3-1-2-4-16(15)20-9-7-19(8-10-20)12-13-5-6-14(18)11-13/h1-6,13-14H,7-12,18H2
InChIKeyLXXNPGODKNZKRH-UHFFFAOYSA-N
XLogP1.85
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine
CID 97185936
1-(2-fluorophenyl)-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine
CID 93355113
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
1-(2-fluorophenyl)-4-[(3-methylpyrrolidin-2-yl)methyl]piperazine
CID 102775666
2-cyclopropyl-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-amine
CID 60918844
2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol
CID 64790373
1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclobutan-1-amine
CID 81168654
1-[[1-(bromomethyl)cyclopropyl]methyl]-4-(2-fluorophenyl)piperazine
CID 65013429
4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3,3-trimethylbutan-2-amine
CID 65267339
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
CID 123618863
2-[4-(2-fluorophenyl)piperazin-1-yl]acetohydrazide
CID 63570220

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine (CID 79207543) is 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine is NC1C=CC(CN2CCN(c3ccccc3F)CC2)C1.
What is the InChIKey of 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine?
The InChIKey is LXXNPGODKNZKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c17-15-3-1-2-4-16(15)20-9-7-19(8-10-20)12-13-5-6-14(18)11-13/h1-6,13-14H,7-12,18H2.
What are the key properties of 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine?
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine has a molecular weight of 275.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79207543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).